Geometry & MOs

Info

ID:	442977
PubChem CID:	135257225
Reduced:	O2N5H27C32 (1)
Stoich.:	A2B5C27D32 (1)
Weight, g/mol:	144.151415
ΔH_f, kcal/mol:	77.86
Dipole, Da:	5.55
IP(EA), eV:	-9.14(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-1-methoxy-4-methylpentane

Drug info:

PubChemData

Smile

C1CN(CCN1C(C2=CC=CC=C2)O)C(=O)C3=CC=C(C=C3)C4=CN5C(=NC=C5C6=CC=C(C=C6)C#N)C=C4

DOS

IR

Vibrations