Geometry & MOs

Info

ID:	253056
PubChem CID:	103115763
Reduced:	ON6C14H20 (1)
Stoich.:	AB6C14D20 (1)
Weight, g/mol:	279.20591
ΔH_f, kcal/mol:	38.48
Dipole, Da:	4.84
IP(EA), eV:	-8.83(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1CCCN)C(=O)C2=C3C=NC=CN3N=C2

DOS

IR

Vibrations