Geometry & MOs

Info

ID:	415855
PubChem CID:	135088857
Reduced:	SN5O6C33H45 (1)
Stoich.:	AB5C6D33E45 (1)
Weight, g/mol:	268.189926
ΔH_f, kcal/mol:	-243.1
Dipole, Da:	4.95
IP(EA), eV:	-9.2(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[2-methoxyethyl(methyl)amino]-N-methylacetamide

Drug info:

PubChemData

Smile

CC(C)C[C@H]1C(=O)N(CCNC(=O)COC2=CC=C(C[C@@H](C(=O)NCCCC(=O)N1)NC(=O)C3=CSC4=C3CCCC4)C=C2)C

DOS

IR

Vibrations