Geometry & MOs

Info

ID:	418567
PubChem CID:	135105813
Reduced:	ON5C16H17 (1)
Stoich.:	AB5C16D17 (1)
Weight, g/mol:	363.158292
ΔH_f, kcal/mol:	44.38
Dipole, Da:	4.95
IP(EA), eV:	-9.09(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(pyridine-3-carbonyl)-1,4-diazepane-1-carbonyl]-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

CC1=CC2=NC(=CC(=O)N2C=C1)CN(C)CC3=NC=CN=C3

DOS

IR

Vibrations