Geometry & MOs

Info

ID:	160601
PubChem CID:	57389176
Reduced:	ON4H20C26 (1)
Stoich.:	AB4C20D26 (1)
Weight, g/mol:	423.194677
ΔH_f, kcal/mol:	105.61
Dipole, Da:	2.39
IP(EA), eV:	-8.97(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-3-(4-quinolin-4-yl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)benzamide

Drug info:

PubChemData

Smile

C1COC2=C(CN1C3=CC=NC4=CC=CC=C43)C=C(C=C2)C5=CC6=NC=CN=C6C=C5

DOS

IR

Vibrations