Geometry & MOs

Info

ID:	442587
PubChem CID:	135253180
Reduced:	O2N6C21H26 (1)
Stoich.:	A2B6C21D26 (1)
Weight, g/mol:	396.110151
ΔH_f, kcal/mol:	-2.08
Dipole, Da:	13.34
IP(EA), eV:	-7.9(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-(4-methoxyphenyl)-3-methyl-1-(2H-triazol-4-ylmethyl)pyrrolo[2,3-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C2=CN=C3C(=C(NN3CCN4CCNCC4)C)C2=O

DOS

IR

Vibrations