Geometry & MOs

Info

ID:	256342
PubChem CID:	103138642
Reduced:	N3C15H19 (1)
Stoich.:	A3B15C19 (1)
Weight, g/mol:	281.164046
ΔH_f, kcal/mol:	33.4
Dipole, Da:	4.31
IP(EA), eV:	-8.24(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CC1CN(CC1C)C2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations