Geometry & MOs

Info

ID:	290127
PubChem CID:	104412697
Reduced:	NC7H12 (2)
Stoich.:	AB7C12 (2)
Weight, g/mol:	183.148396
ΔH_f, kcal/mol:	3.22
Dipole, Da:	3.43
IP(EA), eV:	-8.67(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N'-dimethyl-N'-[(1-methyltriazol-4-yl)methyl]ethane-1,2-diamine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CCCN(C)CCNC

DOS

IR

Vibrations