Geometry & MOs

Info

ID:	419962
PubChem CID:	135110302
Reduced:	N5O7C33H41 (1)
Stoich.:	A5B7C33D41 (1)
Weight, g/mol:	270.148061
ΔH_f, kcal/mol:	-250.48
Dipole, Da:	5.88
IP(EA), eV:	-8.76(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N2CCC[C@@H]2C(=O)N[C@H](C(=O)N[C@H](CN(CC(=O)N1)C(=O)CC3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5)C(C)C

DOS

IR

Vibrations