Geometry & MOs

Info

ID:	290250
PubChem CID:	104422947
Reduced:	NF2C7H10 (2)
Stoich.:	AB2C7D10 (2)
Weight, g/mol:	264.231397
ΔH_f, kcal/mol:	-201.22
Dipole, Da:	5.05
IP(EA), eV:	-9.05(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-ylmethyl)-N-propylpropane-1,3-diamine

Drug info:

PubChemData

Smile

CCCNCCCNCC1=C(C(=CC=C1)C(F)(F)F)F

DOS

IR

Vibrations