Geometry & MOs

Info

ID:	74018
PubChem CID:	48421359
Reduced:	O3N5C11H19 (1)
Stoich.:	A3B5C11D19 (1)
Weight, g/mol:	273.147727
ΔH_f, kcal/mol:	-102.52
Dipole, Da:	4.98
IP(EA), eV:	-8.85(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-1-(2-hydroxypropyl)-3-isoquinolin-5-ylurea

Drug info:

PubChemData

Smile

CCN(CC(C)O)C(=O)NC1=CN(N=C1)CC(=O)N

DOS

IR

Vibrations