Geometry & MOs

Info

ID:	74100
PubChem CID:	48421462
Reduced:	O2N3C9H15 (2)
Stoich.:	A2B3C9D15 (2)
Weight, g/mol:	398.231791
ΔH_f, kcal/mol:	-150.53
Dipole, Da:	4.1
IP(EA), eV:	-8.84(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(1-ethylpyrrolidin-2-yl)methyl-(isoquinolin-5-ylcarbamoyl)amino]propanoate

Drug info:

PubChemData

Smile

CCN1CCCC1CN(CCC(=O)OCC)C(=O)NC2=CN(N=C2)CC(=O)N

DOS

IR

Vibrations