Geometry & MOs

Info

ID:	336102
PubChem CID:	127255109
Reduced:	N3O5C27H27 (1)
Stoich.:	A3B5C27D27 (1)
Weight, g/mol:	311.138225
ΔH_f, kcal/mol:	-112.83
Dipole, Da:	2.53
IP(EA), eV:	-8.9(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3N(C(=O)C4=CC=CC=C4N3C2=O)CC(=O)NCC5CC6CC5C=C6)OC

DOS

IR

Vibrations