Geometry & MOs

Info

ID:	145929
PubChem CID:	53614493
Reduced:	ON6C17H22 (1)
Stoich.:	AB6C17D22 (1)
Weight, g/mol:	333.147727
ΔH_f, kcal/mol:	57.34
Dipole, Da:	9.15
IP(EA), eV:	-9.13(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(imidazol-1-ylmethyl)phenyl]-(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone

Drug info:

PubChemData

Smile

C1CCN(C1)C2CCCN(C2)C(=O)C3=CC=CC=C3N4C=NN=N4

DOS

IR

Vibrations