Geometry & MOs

Info

ID:	188639
PubChem CID:	77746717
Reduced:	F3N5O7C34H38 (1)
Stoich.:	A3B5C7D34E38 (1)
Weight, g/mol:	355.189592
ΔH_f, kcal/mol:	-384.96
Dipole, Da:	7.14
IP(EA), eV:	-9.17(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(4-nitrophenyl)-N-pentyl-N-phenylpropanamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CN(C)C(=O)C(=C)C(F)(F)F)C(=O)N1CC(CC1C(=O)N)OC2=CC(=NC3=C2C=CC(=C3)OC)C4=CC=CC=C4

DOS

IR

Vibrations