Geometry & MOs

Info

ID:	422776
PubChem CID:	135118390
Reduced:	N2S2O4C17H26 (1)
Stoich.:	A2B2C4D17E26 (1)
Weight, g/mol:	305.221561
ΔH_f, kcal/mol:	-150.04
Dipole, Da:	4.13
IP(EA), eV:	-8.97(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[(3S,4R)-4-methoxypiperidin-3-yl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine

Drug info:

PubChemData

Smile

COCC1CCCN1S(=O)(=O)N2CCC3(CC2)C4=C(CCO3)C=CS4

DOS

IR

Vibrations