Geometry & MOs

Info

ID:	17410
PubChem CID:	496588
Reduced:	O3N4C18H26 (1)
Stoich.:	A3B4C18D26 (1)
Weight, g/mol:	346.200491
ΔH_f, kcal/mol:	-98.69
Dipole, Da:	6.66
IP(EA), eV:	-8.47(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-anilinoethyl(2-cyanoethyl)carbamoyl]amino]-3-methylbutanoate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)OC)NC(=O)N(CCC#N)CCNC1=CC=CC=C1

DOS

IR

Vibrations