Geometry & MOs

Info

ID:	178348
PubChem CID:	76313983
Reduced:	ClO2N7C26H26 (1)
Stoich.:	AB2C7D26E26 (1)
Weight, g/mol:	309.078123
ΔH_f, kcal/mol:	41.13
Dipole, Da:	2.01
IP(EA), eV:	-8.0(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C(=CC2=CN=C(C=C21)NC3=C(C=C(C=C3)C4=CN(N=C4)C)Cl)C5=CN(N=C5)C

DOS

IR

Vibrations