Geometry & MOs

Info

ID:	443709
PubChem CID:	135259793
Reduced:	N3O3C22H27 (1)
Stoich.:	A3B3C22D27 (1)
Weight, g/mol:	442.19288
ΔH_f, kcal/mol:	-89.99
Dipole, Da:	6.9
IP(EA), eV:	-9.1(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(3,3-difluoropyrrolidin-1-yl)pyridin-3-yl]-N-[2-[(4-ethoxyphenyl)methyl]triazol-4-yl]acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](N1C(=O)NCC2=CC=CC=C2)C)CC3=CC=C(C=C3)C(=O)O

DOS

IR

Vibrations