Geometry & MOs

Info

ID:	349208
PubChem CID:	127274934
Reduced:	O3N4C18H22 (1)
Stoich.:	A3B4C18D22 (1)
Weight, g/mol:	255.158292
ΔH_f, kcal/mol:	-84.31
Dipole, Da:	3.13
IP(EA), eV:	-9.28(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2-methyl-1,4-oxazepan-4-yl)-2-oxoethyl]-1,3-diazinan-2-one

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)CC2=C(NC(=NC2=O)C3=CN=CC=C3)C

DOS

IR

Vibrations