Geometry & MOs

Info

ID:	343777
PubChem CID:	127266953
Reduced:	ON3C20H27 (1)
Stoich.:	AB3C20D27 (1)
Weight, g/mol:	327.158292
ΔH_f, kcal/mol:	-11.88
Dipole, Da:	4.26
IP(EA), eV:	-8.77(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl 4-[(2-oxo-1H-pyridin-4-yl)methyl]-1,4-diazepane-1-carboxylate

Drug info:

PubChemData

Smile

CC1CC(CCN1CC2=CC=CC=C2)N(C)CC3=CC(=O)NC=C3

DOS

IR

Vibrations