Geometry & MOs

Info

ID:	364436
PubChem CID:	127315688
Reduced:	ON4C13H22 (1)
Stoich.:	AB4C13D22 (1)
Weight, g/mol:	249.184112
ΔH_f, kcal/mol:	-18.21
Dipole, Da:	2.46
IP(EA), eV:	-8.51(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,7-dimethyl-1,4-diazepan-1-yl)-(1,5-dimethylpyrrol-2-yl)methanone

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2=C(N(N=C2)C)C)C

DOS

IR

Vibrations