Geometry & MOs

Info

ID:	155415
PubChem CID:	56355053
Reduced:	NO4C21H31 (1)
Stoich.:	AB4C21D31 (1)
Weight, g/mol:	391.283492
ΔH_f, kcal/mol:	-188.67
Dipole, Da:	4.69
IP(EA), eV:	-8.84(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[2-(dimethylamino)ethyl-[4-[ethyl(propan-2-yl)amino]benzoyl]amino]acetate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CN(C)C(=O)C1(CCCCC1)C2=CC=C(C=C2)OC

DOS

IR

Vibrations