Geometry & MOs

Info

ID:	131721
PubChem CID:	51252350
Reduced:	O2N3C17H27 (1)
Stoich.:	A2B3C17D27 (1)
Weight, g/mol:	322.189257
ΔH_f, kcal/mol:	-99.34
Dipole, Da:	2.99
IP(EA), eV:	-8.74(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 4-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]benzoate

Drug info:

PubChemData

Smile

CC(C)CN(CC(C)C)CC(=O)NC1=CC=CC=C1C(=O)N

DOS

IR

Vibrations