Geometry & MOs

Info

ID:	435257
PubChem CID:	135186805
Reduced:	O6N7C26H37 (1)
Stoich.:	A6B7C26D37 (1)
Weight, g/mol:	306.198365
ΔH_f, kcal/mol:	-231.11
Dipole, Da:	4.86
IP(EA), eV:	-8.87(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,5-dimethylphenyl)-1-methoxy-2-methyl-1,2,3,5,6,7-hexahydro-s-indacene

Drug info:

PubChemData

Smile

CCC(CC)CNC(=O)CN1C=C(C=C(C1=O)NC(=O)[C@H](CCC(=O)C(=O)NC)NC(=O)C2=CN=CN2C)C

DOS

IR

Vibrations