Geometry & MOs

Info

ID:	448292
PubChem CID:	135289944
Reduced:	N2O3H18C21 (1)
Stoich.:	A2B3C18D21 (1)
Weight, g/mol:	387.123736
ΔH_f, kcal/mol:	37.68
Dipole, Da:	6.89
IP(EA), eV:	-8.67(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-2-[3-methoxy-4-(oxetan-3-ylmethoxy)phenyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2CC2C(=O)NC3=CC=C(C=C3)C#N)OCC#C

DOS

IR

Vibrations