Geometry & MOs

Info

ID:	358717
PubChem CID:	127296531
Reduced:	NOC6H11 (3)
Stoich.:	ABC6D11 (3)
Weight, g/mol:	374.214033
ΔH_f, kcal/mol:	-170.01
Dipole, Da:	4.72
IP(EA), eV:	-9.14(1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-propoxyazepan-1-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCOC1CCCN(CC1)CC(=O)NC2CCN(CC2)C(=O)C

DOS

IR

Vibrations