Geometry & MOs

Info

ID:	330759
PubChem CID:	127248166
Reduced:	O2N5C23H25 (1)
Stoich.:	A2B5C23D25 (1)
Weight, g/mol:	434.243024
ΔH_f, kcal/mol:	2.41
Dipole, Da:	8.54
IP(EA), eV:	-8.65(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[3-[4-(4-methoxyanilino)-6-methylpyridin-2-yl]pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CCN(C2)C(=O)C3=NC=C(N=C3)C)NC4=CC=C(C=C4)OC

DOS

IR

Vibrations