Geometry & MOs

Info

ID:	207725
PubChem CID:	80443619
Reduced:	NC7H15 (2)
Stoich.:	AB7C15 (2)
Weight, g/mol:	252.231397
ΔH_f, kcal/mol:	-46.54
Dipole, Da:	2.77
IP(EA), eV:	-8.45(2.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N,3-dimethyl-1-N-[(1-methylpyrazol-4-yl)methyl]-2-N-propylbutane-1,2-diamine

Drug info:

PubChemData

Smile

CCC1CCN(CC1)CC(C(C)C)NCC

DOS

IR

Vibrations