Geometry & MOs

Info

ID:	418213
PubChem CID:	135103879
Reduced:	N2O5C19H22 (1)
Stoich.:	A2B5C19D22 (1)
Weight, g/mol:	356.171162
ΔH_f, kcal/mol:	-198.17
Dipole, Da:	2.28
IP(EA), eV:	-9.1(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2-(2,2-difluorocyclopropyl)ethyl]-1,4-diazepan-1-yl]-(2-fluoro-6-methoxyphenyl)methanone

Drug info:

PubChemData

Smile

CCC[C@@]1(CCN(C[C@@H]1O)C(=O)C2=CC(=O)NC3=CC=CC=C32)C(=O)O

DOS

IR

Vibrations