Geometry & MOs

Info

ID:	427484
PubChem CID:	135159314
Reduced:	NOC24H25 (2)
Stoich.:	ABC24D25 (2)
Weight, g/mol:	274.110613
ΔH_f, kcal/mol:	51.35
Dipole, Da:	2.86
IP(EA), eV:	-7.97(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methyl-5-phenylpyrido[3,4-b][1,4]benzoxazine

Drug info:

PubChemData

Smile

C1CCNC(C1)C2=CC3=C(C=C2)C4(C5CC(C=CC5O3)C6=CCCC7=C6N(C8=CC=CC=C78)C9CCC=CC9)C1C=CC=CC1OC1=CCCC=C41

DOS

IR

Vibrations