Geometry & MOs

Info

ID:	174120
PubChem CID:	75726662
Reduced:	NO2C16H21 (2)
Stoich.:	AB2C16D21 (2)
Weight, g/mol:	462.251858
ΔH_f, kcal/mol:	-143.96
Dipole, Da:	4.38
IP(EA), eV:	-8.74(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(butylamino)-1-(2,4-dimethylphenyl)-2-oxoethyl]-2-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C(=O)NC(C)(C)CC(C)(C)C)N(CC2=CC=C(O2)C)C(=O)C3=CC=CC=C3OC)C

DOS

IR

Vibrations