Geometry & MOs

Info

ID:	277278
PubChem CID:	103827604
Reduced:	SN2O3C10H22 (1)
Stoich.:	AB2C3D10E22 (1)
Weight, g/mol:	229.157898
ΔH_f, kcal/mol:	-162.88
Dipole, Da:	4.7
IP(EA), eV:	-9.55(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-pent-4-ynyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC(=O)C(C(C)(C)C)N

DOS

IR

Vibrations