Geometry & MOs

Info

ID:	290855
PubChem CID:	111364535
Reduced:	O2N4C17H28 (1)
Stoich.:	A2B4C17D28 (1)
Weight, g/mol:	345.252861
ΔH_f, kcal/mol:	-59.27
Dipole, Da:	1.25
IP(EA), eV:	-9.22(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[N-ethyl-N'-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]carbamimidoyl]amino]-N,N-dimethylacetamide

Drug info:

PubChemData

Smile

CCNC(=NCC1=CC=CC=C1COCC)NCC(=O)N(C)C

DOS

IR

Vibrations