Geometry & MOs

Info

ID:	75881
PubChem CID:	48424109
Reduced:	O2N4C17H26 (1)
Stoich.:	A2B4C17D26 (1)
Weight, g/mol:	407.242021
ΔH_f, kcal/mol:	-39.13
Dipole, Da:	3.28
IP(EA), eV:	-8.7(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-ethyl-N-[3-[[2-(methoxycarbonylamino)-3-phenylpropanoyl]amino]propyl]carbamate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=NC=C(C=C1)N2CCN(CC2)C)OCC3CC3

DOS

IR

Vibrations