Geometry & MOs

Info

ID:	290690
PubChem CID:	109817101
Reduced:	O2N5C16H31 (1)
Stoich.:	A2B5C16D31 (1)
Weight, g/mol:	515.17572
ΔH_f, kcal/mol:	-110.93
Dipole, Da:	9.29
IP(EA), eV:	-8.78(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[3-[[[N'-methyl-N-(1-propanoylpyrrolidin-3-yl)carbamimidoyl]amino]methyl]phenyl]butanamide;hydroiodide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)CCNC(=NC)NC1CCN(C1)C(=O)CC

DOS

IR

Vibrations