Geometry & MOs

Info

ID:	74974
PubChem CID:	48422776
Reduced:	O2N4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	321.168856
ΔH_f, kcal/mol:	-4.14
Dipole, Da:	4.97
IP(EA), eV:	-9.5(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)N2C=NC=N2)NC(=O)C(C)OCC3CC3

DOS

IR

Vibrations