Geometry & MOs

Info

ID:	131261
PubChem CID:	51183199
Reduced:	ClO2N3C21H26 (1)
Stoich.:	AB2C3D21E26 (1)
Weight, g/mol:	361.143784
ΔH_f, kcal/mol:	-54.25
Dipole, Da:	3.34
IP(EA), eV:	-8.83(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(3-nitrophenyl)propanamide

Drug info:

PubChemData

Smile

C1COCCN1C2=C(C=C(C=C2)Cl)NCC(=O)NCCCC3=CC=CC=C3

DOS

IR

Vibrations