Geometry & MOs

Info

ID:	402214
PubChem CID:	135054987
Reduced:	NOC22H23 (1)
Stoich.:	ABC22D23 (1)
Weight, g/mol:	228.11503
ΔH_f, kcal/mol:	23.29
Dipole, Da:	4.24
IP(EA), eV:	-9.01(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-cyclopenta-1,3-dien-1-yl-3-(2-methoxyphenyl)propanal

Drug info:

PubChemData

Smile

CC/C=C/[C@H]\1CN(C(=O)/C1=C\C2=CC=CC=C2)CC3=CC=CC=C3

DOS

IR

Vibrations