Geometry & MOs

Info

ID:	342027
PubChem CID:	127264740
Reduced:	N3O3C14H19 (1)
Stoich.:	A3B3C14D19 (1)
Weight, g/mol:	378.205576
ΔH_f, kcal/mol:	-111.14
Dipole, Da:	3.6
IP(EA), eV:	-8.15(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-3-[(1-phenylpyrrolidin-3-yl)methyl]urea

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)NC2(CCC2)CC(=O)N

DOS

IR

Vibrations