Geometry & MOs

Info

ID:	305717
PubChem CID:	124966256
Reduced:	ON6C17H20 (1)
Stoich.:	AB6C17D20 (1)
Weight, g/mol:	276.195011
ΔH_f, kcal/mol:	57.61
Dipole, Da:	8.55
IP(EA), eV:	-9.35(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-6-[[(4S)-1-methylazepan-4-yl]methyl]pyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=NC=CN12)[C@H]3CCCCN3C(=O)CN4C=CC=N4

DOS

IR

Vibrations