Geometry & MOs

Info

ID:	253057
PubChem CID:	103115775
Reduced:	ON5C14H25 (1)
Stoich.:	AB5C14D25 (1)
Weight, g/mol:	293.221561
ΔH_f, kcal/mol:	-4.45
Dipole, Da:	7.86
IP(EA), eV:	-8.63(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(5-aminopentyl)-1,4-diazepan-1-yl]-(1-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)N2CCCN(CC2)CCCCN

DOS

IR

Vibrations