Geometry & MOs

Info

ID:	76272
PubChem CID:	48424708
Reduced:	NO2C10H14 (2)
Stoich.:	AB2C10D14 (2)
Weight, g/mol:	360.204907
ΔH_f, kcal/mol:	-132.4
Dipole, Da:	7.89
IP(EA), eV:	-9.15(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCN(CC1)C(=O)C2=CC(=CC=C2)OC)OCC3CC3

DOS

IR

Vibrations