Geometry & MOs

Info

ID:	253312
PubChem CID:	103117640
Reduced:	N5C13H21 (1)
Stoich.:	A5B13C21 (1)
Weight, g/mol:	274.215747
ΔH_f, kcal/mol:	60.93
Dipole, Da:	1.91
IP(EA), eV:	-9.01(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[(1-methylindazol-3-yl)methyl]-1-N-(2-methylpropyl)propane-1,2-diamine

Drug info:

PubChemData

Smile

CC(C)NCC(C)NCC1=C2C=NC=CN2N=C1

DOS

IR

Vibrations