Geometry & MOs

Info

ID:	423990
PubChem CID:	135120948
Reduced:	FO2N6H21C25 (1)
Stoich.:	AB2C6D21E25 (1)
Weight, g/mol:	506.204194
ΔH_f, kcal/mol:	22.98
Dipole, Da:	7.95
IP(EA), eV:	-9.06(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methyl-1H-indol-5-yl)methyl]-1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=NC(=C1)F)OCC2=CC=C(C=C2)CN3C=C(C=N3)C(=O)NCC4=CN=C5C(=C4)C=CN5

DOS

IR

Vibrations