Geometry & MOs

Info

ID:	438791
PubChem CID:	135228548
Reduced:	N3O4C28H31 (1)
Stoich.:	A3B4C28D31 (1)
Weight, g/mol:	374.172939
ΔH_f, kcal/mol:	-113.28
Dipole, Da:	13.18
IP(EA), eV:	-8.6(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(4-hydroxy-3-methoxycyclohepta-1,3,6-trien-1-yl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]butanoate

Drug info:

PubChemData

Smile

CC(C)(C)C1CC2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)O)OC)C4=CN=C(C=C4)NC5CCC5

DOS

IR

Vibrations