Geometry & MOs

Info

ID:	346976
PubChem CID:	127271480
Reduced:	ON5C18H31 (1)
Stoich.:	AB5C18D31 (1)
Weight, g/mol:	388.247441
ΔH_f, kcal/mol:	-50.91
Dipole, Da:	2.96
IP(EA), eV:	-8.66(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-(3-methyl-2-morpholin-4-ylbutyl)urea

Drug info:

PubChemData

Smile

CC(C)CN1CCC(CC1)NC(=O)N2CCC(CC2)C3=NC=CN3

DOS

IR

Vibrations