Geometry & MOs

Info

ID:	290859
PubChem CID:	111364691
Reduced:	BrO2N5C17H26 (1)
Stoich.:	AB2C5D17E26 (1)
Weight, g/mol:	316.226312
ΔH_f, kcal/mol:	-55.34
Dipole, Da:	2.51
IP(EA), eV:	-9.17(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[N'-[(2,4-dimethylphenyl)methyl]-N-(2-methylprop-2-enyl)carbamimidoyl]amino]-N,N-dimethylacetamide

Drug info:

PubChemData

Smile

CCNC(=NCC(=O)N(C)C)NCCCNC(=O)C1=CC=C(C=C1)Br

DOS

IR

Vibrations