Geometry & MOs

Info

ID:	312388
PubChem CID:	126604560
Reduced:	N5C16H19 (1)
Stoich.:	A5B16C19 (1)
Weight, g/mol:	570.174197
ΔH_f, kcal/mol:	80.74
Dipole, Da:	1.03
IP(EA), eV:	-8.04(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(trifluoromethyl)phenyl]-6-[[3-[4-(trifluoromethyl)phenyl]-2,4-dihydro-1,3-benzoxazin-6-yl]methyl]-2,4-dihydro-1,3-benzoxazine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N)NC2=NC(C=CN2)C3=CNCC=C3

DOS

IR

Vibrations