Geometry & MOs

Info

ID:	290689
PubChem CID:	109817100
Reduced:	IO2N5C16H32 (1)
Stoich.:	AB2C5D16E32 (1)
Weight, g/mol:	325.247775
ΔH_f, kcal/mol:	-111.91
Dipole, Da:	5.06
IP(EA), eV:	-9.3(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butan-2-yl-3-[[N'-methyl-N-(1-propanoylpyrrolidin-3-yl)carbamimidoyl]amino]propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations