Geometry & MOs

Info

ID:	424221
PubChem CID:	135121791
Reduced:	IN3O3C16H26 (1)
Stoich.:	AB3C3D16E26 (1)
Weight, g/mol:	415.11469
ΔH_f, kcal/mol:	-98.19
Dipole, Da:	16.61
IP(EA), eV:	-7.08(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-benzoyloxy-2-phenylethyl)-diethyl-prop-2-ynylazanium;bromide

Drug info:

PubChemData

Smile

CC[N+](C)(CC)CC(=O)NC1=CC=CC=C1OC(=O)N(C)C.[I-]

DOS

IR

Vibrations