Geometry & MOs

Info

ID:	364518
PubChem CID:	127315770
Reduced:	ON3C13H21 (1)
Stoich.:	AB3C13D21 (1)
Weight, g/mol:	267.194677
ΔH_f, kcal/mol:	-29.01
Dipole, Da:	5.57
IP(EA), eV:	-8.52(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4,7-dimethyl-1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2=CNC=C2C)C

DOS

IR

Vibrations