Geometry & MOs

Info

ID:	310548
PubChem CID:	126581945
Reduced:	N2O3C12H14 (1)
Stoich.:	A2B3C12D14 (1)
Weight, g/mol:	385.330442
ΔH_f, kcal/mol:	-57.99
Dipole, Da:	4.19
IP(EA), eV:	-9.41(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[8-[3-aminopropyl(pentyl)amino]-8-oxooctyl]carbamate

Drug info:

PubChemData

Smile

CC(C)C1N=C(NO1)C2=CC(=CC=C2)C(=O)O

DOS

IR

Vibrations