Geometry & MOs

Info

ID:	53504
PubChem CID:	14716386
Reduced:	O2N3C34H37 (1)
Stoich.:	A2B3C34D37 (1)
Weight, g/mol:	539.233955
ΔH_f, kcal/mol:	15.1
Dipole, Da:	5.12
IP(EA), eV:	-8.03(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-4-[4-(diethylamino)phenyl]-4-(4-methoxyphenyl)-N,N-dimethyl-2-phenyl-3,1-benzoxazin-7-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)N(C)C)C(O2)(C4=CC=C(C=C4)N(C)C(C)C)C5=CC=C(C=C5)OC

DOS

IR

Vibrations