Geometry & MOs

Info

ID:	448509
PubChem CID:	135291438
Reduced:	F4O6N10C51H60 (1)
Stoich.:	A4B6C10D51E60 (1)
Weight, g/mol:	164.131349
ΔH_f, kcal/mol:	-356.19
Dipole, Da:	4.44
IP(EA), eV:	-8.24(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimethyl-5-propan-2-ylpyridin-3-amine

Drug info:

Smile

CC(C)[C@@H](C(=O)N1C[C@@H](CC1C2=NC3=C(N2)C=C(C=C3)[C@H]4CC[C@@H](N4C5=CC(=C(C(=C5)F)N6CCCCC6)F)C7=CC8=C(C=C7)N=C(N8)C9=C[C@H](CN9C(=O)[C@H](C(C)C)NC(=O)OC)F)F)NC(=O)OC

DOS

IR

Vibrations