Geometry & MOs

Info

ID:	415031
PubChem CID:	135088011
Reduced:	O5N6C30H40 (1)
Stoich.:	A5B6C30D40 (1)
Weight, g/mol:	379.237211
ΔH_f, kcal/mol:	-192.61
Dipole, Da:	2.6
IP(EA), eV:	-9.68(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]methyl]phenyl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@@H](C(=O)NCCCN(CCCC(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2)C(=O)C3=CC=NC=C3)C(C)C

DOS

IR

Vibrations