Geometry & MOs

Info

ID:	77445
PubChem CID:	49635590
Reduced:	ON2C9H13 (2)
Stoich.:	AB2C9D13 (2)
Weight, g/mol:	389.177313
ΔH_f, kcal/mol:	-55.17
Dipole, Da:	6.64
IP(EA), eV:	-8.82(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butan-2-yl-4-[[[2-hydroxyethyl(thiophen-3-ylmethyl)carbamoyl]amino]methyl]benzamide

Drug info:

PubChemData

Smile

CC1=NC=CN1CCNC(=O)NCCOC2=CC=C(C=C2)C(C)C

DOS

IR

Vibrations