Geometry & MOs

Info

ID:	328971
PubChem CID:	126729770
Reduced:	N4O5C18H22 (1)
Stoich.:	A4B5C18D22 (1)
Weight, g/mol:	204.151415
ΔH_f, kcal/mol:	-129.3
Dipole, Da:	2.97
IP(EA), eV:	-8.5(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methoxy-4-[(E)-4-methylhex-4-enyl]benzene

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(O1)C=C(C(=N2)C3=CN(NC3)C)C)NC(=O)OCC

DOS

IR

Vibrations