Geometry & MOs

Info

ID:	436786
PubChem CID:	135211451
Reduced:	ON2C15H19 (2)
Stoich.:	AB2C15D19 (2)
Weight, g/mol:	483.288577
ΔH_f, kcal/mol:	-24.04
Dipole, Da:	7.5
IP(EA), eV:	-8.69(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[5-[4-(cyclopropylmethoxy)piperidin-1-yl]-4-ethyl-2-formylphenyl]propan-2-yl]-3-methyl-1H-indole-6-carbonitrile

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1N2CCC(CC2)NCCCO)C(C)(C)C3=C(C4=C(N3)C=C(C=C4)C#N)C)C=O

DOS

IR

Vibrations