Geometry & MOs

Info

ID:	160175
PubChem CID:	57304916
Reduced:	O2N4C9H20 (1)
Stoich.:	A2B4C9D20 (1)
Weight, g/mol:	422.220557
ΔH_f, kcal/mol:	-89.82
Dipole, Da:	3.18
IP(EA), eV:	-9.44(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[4-(3-cyclohexylpropanoylamino)-2-methylphenyl]carbamoyl]phenyl] acetate

Drug info:

PubChemData

Smile

CCC(C[C@@H](C(=O)OC)N)CN=C(N)N

DOS

IR

Vibrations