Geometry & MOs

Info

ID:	402943
PubChem CID:	135057983
Reduced:	N3O4C26H29 (1)
Stoich.:	A3B4C26D29 (1)
Weight, g/mol:	216.151415
ΔH_f, kcal/mol:	-108.48
Dipole, Da:	2.87
IP(EA), eV:	-8.82(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-methoxyphenyl)methyl]cycloheptene

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)CNC(=O)C2=CC=CC=N2)CCCCNC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations