Geometry & MOs

Info

ID:	164090
PubChem CID:	74381871
Reduced:	O4C31H54 (1)
Stoich.:	A4B31C54 (1)
Weight, g/mol:	392.14601
ΔH_f, kcal/mol:	-274.35
Dipole, Da:	4.79
IP(EA), eV:	-8.68(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-amino-3-[3-(trifluoromethyl)phenyl]propan-2-yl]-5-(2-methylpyrazol-3-yl)furan-2-carboxamide

Drug info:

PubChemData

Smile

CC12CCCC(=CC=C3CC(CC(C3)O)O)C1CCC2C(CCCC(C)(C)O)CCCC(C)(C)O

DOS

IR

Vibrations