Geometry & MOs

Info

ID:	74140
PubChem CID:	48421509
Reduced:	N5O5C15H27 (1)
Stoich.:	A5B5C15D27 (1)
Weight, g/mol:	361.200156
ΔH_f, kcal/mol:	-192.69
Dipole, Da:	5.97
IP(EA), eV:	-8.78(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-3-isoquinolin-5-yl-1-methylurea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations