Geometry & MOs

Info

ID:	75234
PubChem CID:	48423209
Reduced:	N2O3C19H28 (1)
Stoich.:	A2B3C19D28 (1)
Weight, g/mol:	341.210327
ΔH_f, kcal/mol:	-91.19
Dipole, Da:	2.33
IP(EA), eV:	-9.07(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[2-(cyclopropylmethoxy)propanoyl]-1,4-diazepan-1-yl]methyl]benzonitrile

Drug info:

PubChemData

Smile

CC(C(=O)N(C)CC1=CC=CC=C1N2CCOCC2)OCC3CC3

DOS

IR

Vibrations