Geometry & MOs

Info

ID:	368398
PubChem CID:	127328306
Reduced:	O2N5C22H29 (1)
Stoich.:	A2B5C22D29 (1)
Weight, g/mol:	398.206639
ΔH_f, kcal/mol:	-30.56
Dipole, Da:	9.23
IP(EA), eV:	-9.05(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

Drug info:

PubChemData

Smile

CC1(CCCN1C(=O)C2=CC=CC=C2)C(=O)N3CCN(CC3)CC4=NC=CN4C

DOS

IR

Vibrations