Geometry & MOs

Info

ID:	162302
PubChem CID:	57394237
Reduced:	O2N5C24H29 (1)
Stoich.:	A2B5C24D29 (1)
Weight, g/mol:	346.142976
ΔH_f, kcal/mol:	-16.71
Dipole, Da:	2.5
IP(EA), eV:	-8.18(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC2=CC(=NC(=N2)NC3CCCCC3)NC4=CC(=CC=C4)OC

DOS

IR

Vibrations