Geometry & MOs

Info

ID:	277248
PubChem CID:	103827464
Reduced:	ON3C14H15 (1)
Stoich.:	AB3C14D15 (1)
Weight, g/mol:	276.231397
ΔH_f, kcal/mol:	52.29
Dipole, Da:	3.63
IP(EA), eV:	-10.02(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-methyl-N'-propan-2-yl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)propane-1,3-diamine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C#N)C2=NC(=NO2)CC(C)C

DOS

IR

Vibrations