Geometry & MOs

Info

ID:	74764
PubChem CID:	48422427
Reduced:	NO4C16H21 (1)
Stoich.:	AB4C16D21 (1)
Weight, g/mol:	331.214744
ΔH_f, kcal/mol:	-141.55
Dipole, Da:	3.11
IP(EA), eV:	-9.89(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-[2-(4-methoxyphenyl)azepan-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)OCC2CC2

DOS

IR

Vibrations