Geometry & MOs

Info

ID:	174383
PubChem CID:	75758599
Reduced:	ClN2O3C22H29 (1)
Stoich.:	AB2C3D22E29 (1)
Weight, g/mol:	370.202321
ΔH_f, kcal/mol:	-114.11
Dipole, Da:	6.17
IP(EA), eV:	-8.96(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-2-[(2-chloroacetyl)-[(5-methylfuran-2-yl)methyl]amino]heptanamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C(C1=C(C=C(C=C1)C)C)N(CC2=CC=C(O2)C)C(=O)CCl

DOS

IR

Vibrations