Geometry & MOs

Info

ID:	248086
PubChem CID:	103078824
Reduced:	O2N5C9H17 (1)
Stoich.:	A2B5C9D17 (1)
Weight, g/mol:	221.138894
ΔH_f, kcal/mol:	-40.45
Dipole, Da:	5.46
IP(EA), eV:	-8.15(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-N-[3-(triazol-1-yl)propyl]pyrazole-3,4-diamine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NCC(=O)NCCOC)N

DOS

IR

Vibrations