Geometry & MOs

Info

ID:	443758
PubChem CID:	135259937
Reduced:	O3N4C28H38 (1)
Stoich.:	A3B4C28D38 (1)
Weight, g/mol:	458.187795
ΔH_f, kcal/mol:	-90.92
Dipole, Da:	7.51
IP(EA), eV:	-8.47(-0.69)
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-[(3,4-dimethoxyphenyl)methyl]triazol-4-yl]acetamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)CC2=CC(=CC=C2)C(=O)N3[C@@H](CN(C[C@@H]3C)CC4=CC=C(C=C4)C(=O)O)C

DOS

IR

Vibrations