Geometry & MOs

Info

ID:	75232
PubChem CID:	48423201
Reduced:	N2O2C19H30 (1)
Stoich.:	A2B2C19D30 (1)
Weight, g/mol:	371.182062
ΔH_f, kcal/mol:	-74.57
Dipole, Da:	4.35
IP(EA), eV:	-8.92(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCN(CC)CC1=CC=CC=C1CNC(=O)C(C)OCC2CC2

DOS

IR

Vibrations