Geometry & MOs

Info

ID:	84252
PubChem CID:	49865114
Reduced:	F3N4O4C21H25 (1)
Stoich.:	A3B4C4D21E25 (1)
Weight, g/mol:	400.191756
ΔH_f, kcal/mol:	-230.06
Dipole, Da:	7.9
IP(EA), eV:	-9.4(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(aminomethyl)-N-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl]-N-cyclopropyl-3-phenylpropanamide

Drug info:

PubChemData

Smile

CCO/N=C\1/CCN(CC1(C)CN)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)CCF)F

DOS

IR

Vibrations