Geometry & MOs

Info

ID:	74041
PubChem CID:	48421385
Reduced:	O4N5C17H23 (1)
Stoich.:	A4B5C17D23 (1)
Weight, g/mol:	365.173942
ΔH_f, kcal/mol:	-104.19
Dipole, Da:	5.35
IP(EA), eV:	-8.96(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-hydroxy-3-phenylmethoxypropyl)-3-isoquinolin-5-yl-1-methylurea

Drug info:

PubChemData

Smile

CN(CC(COCC1=CC=CC=C1)O)C(=O)NC2=CN(N=C2)CC(=O)N

DOS

IR

Vibrations