Geometry & MOs

Info

ID:	364479
PubChem CID:	127315731
Reduced:	O2N3C16H29 (1)
Stoich.:	A2B3C16D29 (1)
Weight, g/mol:	235.168462
ΔH_f, kcal/mol:	-114.16
Dipole, Da:	8.25
IP(EA), eV:	-8.86(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2CC(=O)N(C2)C(C)(C)C)C

DOS

IR

Vibrations