Geometry & MOs

Info

ID:	233496
PubChem CID:	90944870
Reduced:	ClNOC7H10 (2)
Stoich.:	ABCD7E10 (2)
Weight, g/mol:	353.326694
ΔH_f, kcal/mol:	-103.86
Dipole, Da:	4.95
IP(EA), eV:	-8.55(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(aminomethyl)-4,7,15,18-tetrazabicyclo[9.5.5]henicos-11-ene-2,9-diamine

Drug info:

PubChemData

Smile

CCC(C1=CC=C(C=C1)N(CCCl)CCCl)NC(=O)O

DOS

IR

Vibrations