Geometry & MOs

Info

ID:	363166
PubChem CID:	127310201
Reduced:	O3N4C17H26 (1)
Stoich.:	A3B4C17D26 (1)
Weight, g/mol:	356.148455
ΔH_f, kcal/mol:	-105.57
Dipole, Da:	4.18
IP(EA), eV:	-9.03(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carbonyl]-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2CN(CCO2)C(=O)CN3CCCCCC3=O

DOS

IR

Vibrations