Geometry & MOs

Info

ID:	275560
PubChem CID:	103816594
Reduced:	ClON2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	215.131014
ΔH_f, kcal/mol:	-38.26
Dipole, Da:	3.95
IP(EA), eV:	-9.47(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-N-pent-4-ynylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CC[C@@H](C2)N)Cl

DOS

IR

Vibrations