Geometry & MOs

Info

ID:	353140
PubChem CID:	127284320
Reduced:	O2N6C17H20 (1)
Stoich.:	A2B6C17D20 (1)
Weight, g/mol:	385.236542
ΔH_f, kcal/mol:	-7.01
Dipole, Da:	5.2
IP(EA), eV:	-9.1(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-8-[3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)N2C(=N1)C=CN2)CC(=O)N3CCCCC3C4=NC=CN4

DOS

IR

Vibrations