Geometry & MOs

Info

ID:	364409
PubChem CID:	127315648
Reduced:	O2N3C12H23 (1)
Stoich.:	A2B3C12D23 (1)
Weight, g/mol:	263.199762
ΔH_f, kcal/mol:	-108.58
Dipole, Da:	1.29
IP(EA), eV:	-8.81(0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,7-dimethyl-1,4-diazepan-1-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C(C)NC(=O)C)C

DOS

IR

Vibrations