Geometry & MOs

Info

ID:	53502
PubChem CID:	14716381
Reduced:	NSO4C11H13 (1)
Stoich.:	ABC4D11E13 (1)
Weight, g/mol:	583.26017
ΔH_f, kcal/mol:	-157.43
Dipole, Da:	4.7
IP(EA), eV:	-9.49(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-butoxyphenyl)-2-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-6-methoxy-N,N-dimethyl-3,1-benzoxazin-7-amine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(=O)NC(CS)C(=O)O)O

DOS

IR

Vibrations