Geometry & MOs

Info

ID:	364517
PubChem CID:	127315769
Reduced:	NOC8H11 (2)
Stoich.:	ABC8D11 (2)
Weight, g/mol:	235.168462
ΔH_f, kcal/mol:	-61.36
Dipole, Da:	5.53
IP(EA), eV:	-8.74(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,7-dimethyl-1,4-diazepan-1-yl)-(4-methyl-1H-pyrrol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2=CC3=C(C=C2)OCC3)C

DOS

IR

Vibrations