Geometry & MOs

Info

ID:	75073
PubChem CID:	48422952
Reduced:	N3O3C24H31 (1)
Stoich.:	A3B3C24D31 (1)
Weight, g/mol:	346.225643
ΔH_f, kcal/mol:	-94.45
Dipole, Da:	3.53
IP(EA), eV:	-9.12(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C(CC3=CC=CC=C3)NC(=O)OC

DOS

IR

Vibrations