Geometry & MOs

Info

ID:	71083
PubChem CID:	48414264
Reduced:	O2N6C17H22 (1)
Stoich.:	A2B6C17D22 (1)
Weight, g/mol:	344.163711
ΔH_f, kcal/mol:	-5.83
Dipole, Da:	11.13
IP(EA), eV:	-8.99(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]indole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N=C2C1=C(NN2C)C)CCC(=O)NCC3=C(NN=C3)C

DOS

IR

Vibrations