Geometry & MOs

Info

ID:	76073
PubChem CID:	48424388
Reduced:	NO2C16H23 (1)
Stoich.:	AB2C16D23 (1)
Weight, g/mol:	332.209993
ΔH_f, kcal/mol:	-69.2
Dipole, Da:	2.19
IP(EA), eV:	-8.66(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N(C)C(=O)C(C)OCC2CC2)C

DOS

IR

Vibrations