Geometry & MOs

Info

ID:	218375
PubChem CID:	85089245
Reduced:	PN5O8C17H22 (1)
Stoich.:	AB5C8D17E22 (1)
Weight, g/mol:	453.150012
ΔH_f, kcal/mol:	-326.66
Dipole, Da:	4.5
IP(EA), eV:	-9.15(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[6-(difluoromethoxy)-2-[(N-phenylanilino)methyl]-7-oxa-3-azabicyclo[4.1.0]hepta-2,4-dien-1-yl]oxy]oxolane-3-carbonitrile

Drug info:

PubChemData

Smile

CC1CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OCC3=CC=C(C=C3)O)N=[N+]=[N-]

DOS

IR

Vibrations