Geometry & MOs

Info

ID:	334276
PubChem CID:	127252828
Reduced:	N2O5C22H26 (1)
Stoich.:	A2B5C22D26 (1)
Weight, g/mol:	353.210327
ΔH_f, kcal/mol:	-140.24
Dipole, Da:	5.61
IP(EA), eV:	-8.71(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-methyl-2-(6-pyrrol-1-ylhexanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=O)C2=C(O1)C(=C(O2)C3=CC=C(C=C3)OC)CC(=O)NCCCN(C)C

DOS

IR

Vibrations