Geometry & MOs

Info

ID:	379041
PubChem CID:	134352137
Reduced:	O2N4C31H46 (1)
Stoich.:	A2B4C31D46 (1)
Weight, g/mol:	174.044757
ΔH_f, kcal/mol:	-98.76
Dipole, Da:	2.59
IP(EA), eV:	-8.14(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-3-methoxycyclohex-2-ene-1-carbaldehyde

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C[C@@H](C(=O)N[C@@H]2CCNC3=C2C=C(C=C3)CN4CCCCCCCCCC4)N)C)O

DOS

IR

Vibrations