Geometry & MOs

Info

ID:	350375
PubChem CID:	127277453
Reduced:	N3O3C14H25 (1)
Stoich.:	A3B3C14D25 (1)
Weight, g/mol:	360.204907
ΔH_f, kcal/mol:	-149.3
Dipole, Da:	6.28
IP(EA), eV:	-8.73(0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,4-dioxan-2-ylmethyl)-2-(3-methylbutanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)CCNC(=O)C2CCCOC2

DOS

IR

Vibrations