Geometry & MOs

Info

ID:	321236
PubChem CID:	126665572
Reduced:	FOSN2C22H29 (1)
Stoich.:	ABCD2E22F29 (1)
Weight, g/mol:	613.13002
ΔH_f, kcal/mol:	-35.99
Dipole, Da:	3.96
IP(EA), eV:	-8.39(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(aminomethyl)phenyl]-N-[3-[(3-bromo-4-hydroxyphenyl)-(cyclopropylmethylamino)methyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)[S@](=O)NC(CCC1CC1)(C2=CC=CC=C2)C3=CC(=C(C=C3)F)N

DOS

IR

Vibrations