Geometry & MOs

Info

ID:	399979
PubChem CID:	135044317
Reduced:	BrNO2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	393.147727
ΔH_f, kcal/mol:	-61.64
Dipole, Da:	7.48
IP(EA), eV:	-8.88(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-benzhydryltriazol-4-yl)methyl 3-phenylprop-2-ynoate

Drug info:

PubChemData

Smile

CC1(CC(=C(C(=O)C1)Br)NCC2=CC=CO2)C

DOS

IR

Vibrations