Geometry & MOs

Info

ID:	166200
PubChem CID:	74649856
Reduced:	O2N4C23H39 (1)
Stoich.:	A2B4C23D39 (1)
Weight, g/mol:	402.299476
ΔH_f, kcal/mol:	-104.28
Dipole, Da:	3.03
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.113368
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclohexylcarbamoylamino)-N-[2-(diethylamino)-2-phenylethyl]butanamide

Drug info:

PubChemData

Smile

CC[NH+](CC)C(CNC(=O)CCCNC(=O)NC1CCCCC1)C2=CC=CC=C2

DOS

IR

Vibrations