Geometry & MOs

Info

ID:	277249
PubChem CID:	103827483
Reduced:	NC4H7 (4)
Stoich.:	AB4C7 (4)
Weight, g/mol:	272.174945
ΔH_f, kcal/mol:	-0.32
Dipole, Da:	5.45
IP(EA), eV:	-8.64(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(C)N(C)CCCNC1=NC=NC2=C1CCCCC2

DOS

IR

Vibrations