Geometry & MOs

Info

ID:	151541
PubChem CID:	53837774
Reduced:	PN2O4C13H19 (1)
Stoich.:	AB2C4D13E19 (1)
Weight, g/mol:	175.063329
ΔH_f, kcal/mol:	-220.84
Dipole, Da:	3.13
IP(EA), eV:	-9.64(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-hydroxyethyl)benzoyl cyanide

Drug info:

PubChemData

Smile

CP(=O)(CCC(C(=O)N)NC(=O)CC1=CC=CC=C1)O

DOS

IR

Vibrations