Geometry & MOs

Info

ID:	53503
PubChem CID:	14716385
Reduced:	ClN3O3C35H38 (1)
Stoich.:	AB3C3D35E38 (1)
Weight, g/mol:	519.288577
ΔH_f, kcal/mol:	-22.22
Dipole, Da:	5.46
IP(EA), eV:	-7.88(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methoxyphenyl)-N,N-dimethyl-2-(4-methylphenyl)-4-[4-[methyl(propan-2-yl)amino]phenyl]-3,1-benzoxazin-7-amine

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C2(C3=CC(=C(C=C3N=C(O2)C4=CC=C(C=C4)Cl)N(C)C)OC)C5=CC=C(C=C5)N(C)C

DOS

IR

Vibrations