Geometry & MOs

Info

ID:	387802
PubChem CID:	134986994
Reduced:	O2N3C10H11 (1)
Stoich.:	A2B3C10D11 (1)
Weight, g/mol:	243.071785
ΔH_f, kcal/mol:	-59.46
Dipole, Da:	10.36
IP(EA), eV:	-9.24(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-4-methyl-2-(thiophen-2-ylmethylidene)-3H-1,4-benzoxazine

Drug info:

PubChemData

Smile

CC1=C(N(C2=NC(=O)NC(=O)C2=C1)C)C

DOS

IR

Vibrations