Geometry & MOs

Info

ID:	350351
PubChem CID:	127277429
Reduced:	O3N4C19H34 (1)
Stoich.:	A3B4C19D34 (1)
Weight, g/mol:	253.215413
ΔH_f, kcal/mol:	-144.5
Dipole, Da:	7.65
IP(EA), eV:	-8.65(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylpyrrolidin-2-yl)-(4-propan-2-yl-1,4-diazepan-1-yl)methanone

Drug info:

PubChemData

Smile

CC(C)N1CCCN(CC1)C(=O)C2CC(=O)N(C2)CCN3CCOCC3

DOS

IR

Vibrations