Geometry & MOs

Info

ID:	194330
PubChem CID:	78516711
Reduced:	ClN6H13C17 (1)
Stoich.:	AB6C13D17 (1)
Weight, g/mol:	391.178358
ΔH_f, kcal/mol:	148.03
Dipole, Da:	3.56
IP(EA), eV:	-8.69(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-[(4-oxo-3-phenyl-4a,5,6,7,8,8a-hexahydrochromen-7-yl)oxy]acetamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC3=C2N=NC(=N3)NN=CC4=CC=CC=C4Cl

DOS

IR

Vibrations