Geometry & MOs

Info

ID:	75269
PubChem CID:	48423260
Reduced:	NO2C13H25 (1)
Stoich.:	AB2C13D25 (1)
Weight, g/mol:	330.230728
ΔH_f, kcal/mol:	-111.23
Dipole, Da:	3.17
IP(EA), eV:	-9.63(1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)NCCC(C)(C)C)OCC1CC1

DOS

IR

Vibrations