Geometry & MOs

Info

ID:	80187
PubChem CID:	49833443
Reduced:	SO4N10H26C29 (1)
Stoich.:	AB4C10D26E29 (1)
Weight, g/mol:	348.090852
ΔH_f, kcal/mol:	11.08
Dipole, Da:	7.33
IP(EA), eV:	-8.97(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzotriazol-1-yl)-3-(3,4-dichlorophenyl)-N,N-dimethylpropan-1-amine

Drug info:

PubChemData

Smile

CCNC(=O)NC1=NC=C(C(=C1)C2=NC(=CS2)C3=CN(N=C3)C)C4=CC5=C(N=C4)N(C=C(C5=O)C(=O)O)CC6=CN(C=N6)C

DOS

IR

Vibrations