Geometry & MOs

Info

ID:	70258
PubChem CID:	48409796
Reduced:	ON2C10H13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	400.211055
ΔH_f, kcal/mol:	-42.52
Dipole, Da:	6.12
IP(EA), eV:	-8.38(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methylcarbamoyl]phenyl]oxolane-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C=C(C=C2)C(=O)NCC3=C(N(N=C3C)CCOC)C)C

DOS

IR

Vibrations