Geometry & MOs

Info

ID:	372139
PubChem CID:	131293692
Reduced:	ON3C11H19 (1)
Stoich.:	AB3C11D19 (1)
Weight, g/mol:	213.093583
ΔH_f, kcal/mol:	-34.27
Dipole, Da:	4.32
IP(EA), eV:	-9.66(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-4-methyl-6-prop-2-ynylsulfanyl-1,3-diazinan-2-one

Drug info:

PubChemData

Smile

CC1=NC(=NC(=O)C1CN)CC(C)(C)C

DOS

IR

Vibrations