Geometry & MOs

Info

ID:	379956
PubChem CID:	134964398
Reduced:	NOC16H23 (1)
Stoich.:	ABC16D23 (1)
Weight, g/mol:	204.11503
ΔH_f, kcal/mol:	7.29
Dipole, Da:	3.57
IP(EA), eV:	-6.5(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,2S)-2-(phenylmethoxymethyl)cyclopropyl]acetaldehyde

Drug info:

PubChemData

Smile

CC[C@@]12CCNC(C1(C)C)CC3=C2C=C(C=C3)O

DOS

IR

Vibrations