Geometry & MOs

Info

ID:	127424
PubChem CID:	51001751
Reduced:	ClO2N6C20H21 (1)
Stoich.:	AB2C6D20E21 (1)
Weight, g/mol:	445.166938
ΔH_f, kcal/mol:	-15.1
Dipole, Da:	3.63
IP(EA), eV:	-8.58(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-N,N-diethyl-11-methyl-5-pyrimidin-2-yliminobenzo[a]phenoxazin-9-amine;hydrochloride

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=NC=NC3=C2C=CN3)NC(=O)CNC(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations