Geometry & MOs

Info

ID:	336028
PubChem CID:	127255035
Reduced:	N2O2H13C14 (2)
Stoich.:	A2B2C13D14 (2)
Weight, g/mol:	402.205576
ΔH_f, kcal/mol:	-59.51
Dipole, Da:	6.81
IP(EA), eV:	-8.66(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-N-[2-(1-propan-2-ylindol-3-yl)ethyl]-3-pyrazol-1-ylbenzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(CNC(=O)C[C@H]2C(=O)NC3=CC=CC=C3C(=O)N2)C4=CNC5=CC=CC=C54

DOS

IR

Vibrations