Geometry & MOs

Info

ID:	44480
PubChem CID:	10503720
Reduced:	N2O7H22C24 (1)
Stoich.:	A2B7C22D24 (1)
Weight, g/mol:	450.241962
ΔH_f, kcal/mol:	-225.14
Dipole, Da:	8.03
IP(EA), eV:	-9.36(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[benzotriazol-1-yl-(1-methylindol-3-yl)methyl]-5-methyl-2-phenylhex-1-en-1-ol

Drug info:

PubChemData

Smile

CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)OC(=O)[C@@H]([C@H](C)O)O

DOS

IR

Vibrations