Geometry & MOs

Info

ID:	330498
PubChem CID:	127247905
Reduced:	N3O3C18H23 (1)
Stoich.:	A3B3C18D23 (1)
Weight, g/mol:	329.210327
ΔH_f, kcal/mol:	-86.08
Dipole, Da:	3.64
IP(EA), eV:	-8.89(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-N,4-dimethyl-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1CN(CCN(C1)C(=O)C2=CC3=CC=CC=C3OC2)C

DOS

IR

Vibrations