Geometry & MOs

Info

ID:	43739
PubChem CID:	10321722
Reduced:	BrON5C22H24 (1)
Stoich.:	ABC5D22E24 (1)
Weight, g/mol:	453.126234
ΔH_f, kcal/mol:	35.24
Dipole, Da:	5.82
IP(EA), eV:	-8.81(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide

Drug info:

PubChemData

Smile

CC1(CCCN(C1CNC2=NC=C(C=N2)Br)C(=O)C3=NC4=CC=CC=C4C=C3)C

DOS

IR

Vibrations