Geometry & MOs

Info

ID:	401039
PubChem CID:	135049878
Reduced:	WP2N3O5C24H43 (1)
Stoich.:	AB2C3D5E24F43 (1)
Weight, g/mol:	170.073165
ΔH_f, kcal/mol:	21.24
Dipole, Da:	7.42
IP(EA), eV:	-7.19(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(Z)-but-1-en-3-ynyl]-3-phenyloxirane

Drug info:

PubChemData

Smile

CC(C)N(C(C)C)C(=P)P(N(C(C)C)C(C)C)N(C(C)C)C(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[W]

DOS

IR

Vibrations