Geometry & MOs

Info

ID:	224972
PubChem CID:	85735206
Reduced:	N6O6C25H50 (1)
Stoich.:	A6B6C25D50 (1)
Weight, g/mol:	323.113313
ΔH_f, kcal/mol:	-331.85
Dipole, Da:	7.07
IP(EA), eV:	-9.46(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-amino-3-[4-(trifluoromethyl)phenyl]propanoate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)N)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)CCCCCCCOCCN

DOS

IR

Vibrations